1-[[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine

C15H23BrN2O — CID 115257132

IUPAC1-[[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine
SMILESCOc1ccc(Br)cc1C(C)(C)CNCC1(N)CC1
InChIInChI=1S/C15H23BrN2O/c1-14(2,9-18-10-15(17)6-7-15)12-8-11(16)4-5-13(12)19-3/h4-5,8,18H,6-7,9-10,17H2,1-3H3
InChIKeyGQUYZPLSBBGEIY-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.82
Rot. Bonds6

About 1-[[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine

1-[[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine (PubChem CID 115257132) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-[[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine
PubChem CID115257132
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-[[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine
SMILESCOc1ccc(Br)cc1C(C)(C)CNCC1(N)CC1
InChIInChI=1S/C15H23BrN2O/c1-14(2,9-18-10-15(17)6-7-15)12-8-11(16)4-5-13(12)19-3/h4-5,8,18H,6-7,9-10,17H2,1-3H3
InChIKeyGQUYZPLSBBGEIY-UHFFFAOYSA-N
XLogP2.82
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]ethanol
CID 115216511
3-amino-N-[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]propanamide
CID 115153147
4-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]butanenitrile
CID 115232125
1-[[[2-(2-bromophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine
CID 115257165
2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol
CID 115133750
1-[[[2-(4-methoxyphenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine
CID 115257119
N-(bromomethyl)-2-(2-methoxy-5-methylphenyl)-2-methylpropan-1-amine
CID 115262514
N-[(1-aminocycloheptyl)methyl]-5-bromo-2-methoxybenzenesulfonamide;hydrochloride
CID 119998568
(2S)-1-amino-2-(5-bromo-2-methoxyphenyl)propan-2-ol
CID 93189117
4-bromo-2-(2-fluoropropan-2-yl)-1-methoxybenzene
CID 84706055
1-(5-bromo-2-methoxyphenyl)-1-cyclopropylethanamine
CID 83844871
N-ethyl-2-(5-ethyl-2-methoxyphenyl)-2-methylpropan-1-amine
CID 112518134

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine (CID 115257132) is 1-[[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine is COc1ccc(Br)cc1C(C)(C)CNCC1(N)CC1.
What is the InChIKey of 1-[[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine?
The InChIKey is GQUYZPLSBBGEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-14(2,9-18-10-15(17)6-7-15)12-8-11(16)4-5-13(12)19-3/h4-5,8,18H,6-7,9-10,17H2,1-3H3.
What are the key properties of 1-[[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine?
1-[[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine has a molecular weight of 327.27 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine is sourced from PubChem (CID 115257132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).